logo
Home  > (2E)-but-2-enedioic acid; bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol)

AB51409

111974-72-2 | (2E)-but-2-enedioic acid; bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol)

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% in stock $42.00 $29.00 -   +
5g 95% in stock $121.00 $85.00 -   +
10g 95% in stock $232.00 $163.00 -   +
25g 95% in stock $249.00 $175.00 -   +
100g 95% in stock $758.00 $531.00 -   +

*All products are for research use only and not intended for human or animal use.

*All prices are in USD.

Request Bulk Quote
Description
Catalog Number: AB51409
Chemical Name: (2E)-but-2-enedioic acid; bis(2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol)
CAS Number: 111974-72-2
Molecular Formula: C46H54N6O8S2
Molecular Weight: 883.0864
MDL Number: MFCD03423782
SMILES: OC(=O)C=CC(=O)O.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2.OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2

 

Computed Properties
Complexity: 615  
Covalently-Bonded Unit Count: 3  
Defined Bond Stereocenter Count: 1  
Heavy Atom Count: 62  
Hydrogen Bond Acceptor Count: 14  
Hydrogen Bond Donor Count: 4  
Rotatable Bond Count: 14  

 

 

Upstream Synthesis Route 
  • The compound Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1) is utilized in chemical synthesis as a reagent for creating novel organic compounds. Its unique structure and functional groups make it a valuable intermediate in the synthesis of pharmaceutical agents, agrochemicals, and specialty chemicals. This compound acts as a versatile building block, enabling chemists to introduce specific functionalities and stereochemistries into target molecules, thereby facilitating the development of new materials with desired properties. Additionally, its reactivity and compatibility with various reaction conditions make it a versatile tool in the hands of synthetic chemists, allowing for the efficient and controlled formation of complex structures. Consequently, Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1) plays a pivotal role in the advancement of chemical synthesis methodologies and the generation of diverse chemical libraries for further exploration in various fields of science and technology.
Literature
FEATURED PRODUCTS